Information card for entry 7706609

Structure parameters

• Formula: C74 H111 Ce N11 O19 P4
• Calculated formula: C70 H99 Ce N9 O16 P4
• Title of publication: Coordination of trivalent lanthanum and cerium, and tetravalent cerium and actinides (An = Th(IV), U(IV), Np(IV)) by a 4-phosphoryl 1<i>H</i>-pyrazol-5-olate ligand in solution and the solid state.
• Authors of publication: Zhang, Jianfeng; Wenzel, Marco; Schnaars, Kathleen; Hennersdorf, Felix; Schwedtmann, Kai; März, Juliane; Rossberg, André; Kaden, Peter; Kraus, Florian; Stumpf, Thorsten; Weigand, Jan J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 10
• Pages of publication: 3550 - 3558
• a: 17.60897 ± 0.00013 Å
• b: 17.60897 ± 0.00013 Å
• c: 13.59834 ± 0.00015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4216.52 ± 0.06 ų
• Cell temperature: 99.98 ± 0.16 K
• Ambient diffraction temperature: 99.98 ± 0.16 K
• Number of distinct elements: 6
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0244
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No